| Revision: | 2480 |
| Committed: | Fri Dec 2 22:37:05 2005 UTC (18 years, 7 months ago) by gezelter |
| File size: | 346 byte(s) |
| Log Message: | removing deprecated nAtoms and nComponents lines |
| # | Content |
|---|---|
| 1 | #include "gb.md" |
| 2 | #include "lj.md" |
| 3 | |
| 4 | component{ |
| 5 | type = "linear"; |
| 6 | nMol = 1; |
| 7 | } |
| 8 | component{ |
| 9 | type = "Ar"; |
| 10 | nMol =863; |
| 11 | } |
| 12 | |
| 13 | |
| 14 | initialConfig = "./gb-ar.in"; |
| 15 | |
| 16 | ensemble = NVE; |
| 17 | forceField = "DUFF"; |
| 18 | cutoffPolicy = "traditional"; |
| 19 | |
| 20 | dt = 1; |
| 21 | runTime = 1e4; |
| 22 | useInitialTime = "false"; |
| 23 | useInitialExtendedSystemState = "false"; |
| 24 | |
| 25 | sampleTime = 100; |
| 26 | statusTime = 1; |